SCHEMBL9047376

SCHEMBL9047376

CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)c[nH]c3c2-c2ccncc2F)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.45
ADRA2B P18089 1/20 0.43
MAPK1 P28482 1/20 0.43
HPGD P15428 6/20 0.42
HSD17B10 Q99714 5/20 0.42
ALDH1A1 P00352 5/20 0.42
ALB P02768 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
TUBB4A P04350 1/20 0.41
POLB P06746 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41
TUBB2A Q13885 1/20 0.41
TUBB8 Q3ZCM7 1/20 0.41
TUBA3E Q6PEY2 1/20 0.41
TUBA1A Q71U36 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL9044858 0.99 KDM4E (0.44) KDM4EADRA2BMAPK1HPGDHSD17B10
Hydrochloric Acid SCHEMBL9047371 0.89 TOP2A (0.42) KDM4EHPGDHSD17B10ALDH1A1TOP1
SCHEMBL9047491 0.84 ALDH1A1 (0.47) ALDH1A1POLBTOP1TOP2AKMT2A
SCHEMBL9045281 0.84 ALDH1A1 (0.47) ALDH1A1POLBTOP1TOP2AKMT2A
Hydrochloric Acid SCHEMBL9049612 0.84 ALDH1A1 (0.46) ALDH1A1POLBTOP1TOP2AKMT2A
SCHEMBL9044591 0.83 KDM4E (0.46) KDM4EADRA2BMAPK1HPGDHSD17B10
Hydrochloric Acid SCHEMBL9057379 0.82 KDM4E (0.45) KDM4EADRA2BMAPK1HPGDHSD17B10
SCHEMBL9045950 0.81 KDM4E (0.41) KDM4EHPGDHSD17B10ALDH1A1TOP2A
SCHEMBL11202634 0.78 KDM4E (0.52) KDM4EADRA2BMAPK1HPGDHSD17B10
SCHEMBL10862553 0.77 KDM4E (0.51) KDM4EADRA2BMAPK1HPGDHSD17B10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0713487-A1 NOVEL QUINOLONE CARBOXYLIC ACID DERIVATIVES DONG WHA PHARMACEUTICAL INDUSTRIAL CO. LTD. (KR) 1996-05-29 EP disclosed